SCHEMBL30516606

SCHEMBL30516606

CC(C(=O)O)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CYP1A2 P05177 3/20 0.63
HRH1 P35367 1/20 0.63
CYP2C19 P33261 2/20 0.59
RECQL P46063 1/20 0.59
SLC25A20 O43772 3/20 0.51
TP53 P04637 3/20 0.51
TSHR P16473 3/20 0.51
CYP2D6 P10635 2/20 0.51
SLC6A5 Q9Y345 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29840023 1.00 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2565442 0.92 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1644173 0.87 MEN1 (0.68) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL234697 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL677165 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
Leucine SCHEMBL17165661 0.83 MEN1 (0.51) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL8752465 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445036 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445035 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
Bromide SCHEMBL2995963 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457513-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE Société des Produits Nestlé S.A. (CH) 2024-11-06 EP disclosed
WO-2023126758-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE Société des Produits Nestlé S.A. (CH) 2023-07-06 WO disclosed